1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)-2-methyl-5-pentyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide Traditional Name: 5-amyl-4-(4-tert-butylphenyl)-2-methyl-1-piperonyl-pyrrole-3-carboxamide Formula: C29H36N2O3 MolecularWeight: 460.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H36N2O3/c1-6-7-8-9-23-27(21-11-13-22(14-12-21)29(3,4)5)26(28(30)32)19(2)31(23)17-20-10-15-24-25(16-20)34-18-33-24/h10-16H,6-9,17-18H2,1-5H3,(H2,30,32)